E135-0513 Screening compound: N~3~-(4-fluorobenzyl)-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

E135-0513 Screening compound: N~3~-(4-fluorobenzyl)-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
E135-0513 Screening compound: N~3~-(4-fluorobenzyl)-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E135-0513
N~3~-(4-fluorobenzyl)-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E135-0513

Molecular Formula

C18H15F2N3O3S (C18 H15 F2 N3 O3 S)

Compound Name

N~3~-(4-fluorobenzyl)-5-(4-fluorophenyl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide

IUPAC name

5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-11-dioxo-2H-1lambda626-thiadiazine-3-carboxamide

SMILES

CN(C(C(NCc(cc1)ccc1F)=O)=CC(c(cc1)ccc1F)=N1)S1(=O)=O

InChI

InChI=1S/C18H15F2N3O3S/c1-23-17(18(24)21-11-12-2-6-14(19)7-3-12)10-16(22-27(23,25)26)13-4-8-15(20)9-5-13/h2-10H,11H2,1H3,(H,21,24)

InChI Key

UDWBCWYQCZNKQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09783599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.611

Distribution Coefficient, logD

2.545

Water Solubility, LogSw

-2.98

Polar Surface Area

69.641

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with E135-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E135-0513?
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What is the minimum amount of E135-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E135-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E135-0513
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E135-0513 available by request